3,6-Dichloro(3,6-~13~C_2_,~15~N_2_)pyridazine
Basic information
- CAS
1173020-62-6- Standard SMILES
Cl[13c]1cc[13c](Cl)[15n][15n]1- InChIKey
GUSWJGOYDXFJSI-HZENGFQRSA-N- Molecular formula
- C4H2Cl2N2
- Average molar mass
- 152.95 g/mol
- Monoisotopic mass
- 151.9602829
Names & identifiers
- Preferred name
- 3,6-Dichloro(3,6-~13~C_2_,~15~N_2_)pyridazine
- IUPAC
- 3,6-dichloro(3,6-13C2,1,2-15N2)pyridazine
- English name
- 3,6-Dichloro(3,6-13C2,1,2-15N2)pyridazine
- Molecular weight
- 152.95
Names & synonyms
DTXSID807458211173020-62-63,6-Dichloro(3,6-~13~C_2_,~15~N_2_)pyridazineRefChem:272310DTXCID206965653,6-Dichloropyridazine-1,2-15N2, 3,6-13C2, 98 atom % 15N, 99 atom % 13C, 97% (CP)3,6-Dichloro(3,6-13C2,1,2-15N2)pyridazine3,6-Dichloropyridazine-1,2-15N2, 3,6-13C2
Database identifiers
- CAS
1173020-62-6- PubChem CID
- 71309293
- DTXSID
DTXSID80745821- EC Number
- 693-835-0
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 68.4
Physicochemical properties
- Melting point
- 68 °C · 68°C
- Density
- 1.493 · 1.493±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- form
- solid
- InChI
- 1S/C4H2Cl2N2/c5-3-1-2-4(6)8-7-3/h1-2H/i3+1,4+1,7+1,8+1
- InChIKey
- GUSWJGOYDXFJSI-HZENGFQRSA-N
- SMILES
- Cl[13c]1cc[13c](Cl)[15n][15n]1
- UNSPSC Code
- 12352005 · 12352005
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H335-H319-H315
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
Uses- High-resolution NMR spectroscopy- Metabolomic profiling and pathway analysis- Stable Isotope probing in Environmental microbiology- Pharmaceutical formulation development
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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